Information card for entry 7108450

Structure parameters

• Formula: C44 H56 Cu2 N4 O2
• Calculated formula: C44 H56 Cu2 N4 O2
• Title of publication: Nacnac BnCuOiPr: a strained geometry resulting in very high lactide polymerization activity
• Authors of publication: Todd J. J. Whitehorne; Frank Schaper
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10334
• a: 11.3589 ± 0.0004 Å
• b: 12.1538 ± 0.0004 Å
• c: 15.8856 ± 0.0005 Å
• α: 76.9762 ± 0.0016°
• β: 80.6313 ± 0.0016°
• γ: 71.9949 ± 0.0016°
• Cell volume: 2021.73 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No